K783-5077 Screening compound: 2-ethyl-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

K783-5077 Screening compound: 2-ethyl-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
K783-5077 Screening compound: 2-ethyl-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5077
2-ethyl-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K783-5077

Molecular Formula

C18H19NO2 (C18 H19 NO2)

Compound Name

2-ethyl-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

2-ethyl-4-[(2-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCC1Oc(cccc2)c2N(Cc2c(C)cccc2)C1=O

InChI

InChI=1S/C18H19NO2/c1-3-16-18(20)19(12-14-9-5-4-8-13(14)2)15-10-6-7-11-17(15)21-16/h4-11,16H,3,12H2,1-2H3/t16-/m0/s1

InChI Key

ZXNSFHYSUXMWGU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03830434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.36

Polar Surface Area

23.266

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

K783-5077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K783-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5077?
Check Price and Availability of K783-5077, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K783-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5077
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K783-5077 available by request